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Non-equilibrium path integral methods for computing quantum free energy differences are applied to a quantum particle trapped in a harmonic well of uniformly changing strength with the purpose of establishing the convergence properties of…

Statistical Mechanics · Physics 2009-11-13 Ramses van Zon , Lisandro Hernandez de la Pena , Gilles H. Peslherbe , Jeremy Schofield

The classical Jarzynski equality establishes an exact relation between the stochastic work performed on a system driven out of thermal equilibrium and the free energy difference in a corresponding quasi-static process. This fluctuation…

Quantum Physics · Physics 2025-08-21 Konstantin Beyer , Walter T. Strunz

Fluctuation relations allow for the computation of equilibrium properties, like free energy, from an ensemble of non-equilibrium dynamics simulations. Computing them for quantum systems, however, can be difficult, as performing dynamic…

Quantum Physics · Physics 2021-09-07 Lindsay Bassman , Katherine Klymko , Diyi Liu , Norman M. Tubman , Wibe A. de Jong

In this paper we present a first-principles analysis of the nonequilibrium work distribution and the free energy difference of a quantum system interacting with a general environment (with arbitrary spectral density and for all…

Quantum Physics · Physics 2012-02-07 Y. Subasi , B. L. Hu

According to the Jarzynski theorem, equilibrium free energy differences can be calculated from the statistics of work carried out during non-equilibrium transformations. Although exact, this approach can be plagued by large statistical…

Statistical Mechanics · Physics 2007-05-23 Wolfgang Lechner , Christoph Dellago

We have derived several relations, which allow the evaluation of the system free energy changes in the leading order in $\hbar^{2}$ along classically generated trajectories. The results are formulated in terms of purely classical…

Statistical Mechanics · Physics 2009-11-02 M. F. Gelin , D. S. Kosov

Recent years have witnessed major advances in our understanding of nonequilibrium processes. The Jarzynski equality, for example, provides a link between equilibrium free energy differences and finite-time, nonequilibrium dynamics. We…

Statistical Mechanics · Physics 2016-04-27 Dibyendu Mandal , Michael R. DeWeese

Based on the observation that the thermodynamic equilibrium free energy of an open quantum system in contact with a thermal environment can be understood as the difference between the free energy of the total system and that of the bare…

Statistical Mechanics · Physics 2009-06-01 Michele Campisi , Peter Talkner , Peter Hänggi

In recent years a quantum information theoretic framework has emerged for incorporating non-classical phenomena into fluctuation relations. Here we elucidate this framework by exploring deviations from classical fluctuation relations…

Quantum Physics · Physics 2021-12-09 Zoe Holmes , Erick Hinds Mingo , Calvin Y. -R. Chen , Florian Mintert

At non-zero temperature classical systems exhibit statistical fluctuations of thermodynamic quantities arising from the variation of the system's initial conditions and its interaction with the environment. The fluctuating work, for…

Quantum Physics · Physics 2018-02-07 Rui Sampaio , Samu Suomela , Tapio Ala-Nissila , Janet Anders , Thomas Philbin

The characteristic function of the work performed by an external time-dependent force on a Hamiltonian quantum system is identified with the time-ordered correlation function of the exponentiated system's Hamiltonian. A similar expression…

Statistical Mechanics · Physics 2009-11-13 Peter Talkner , Eric Lutz , Peter Hanggi

The computation of free energy differences through an exponential weighting of out of equilibrium paths (known as the Jarzynski equality) is often used for transitions between states described by an external parameter $\lambda$ in the…

Statistical Mechanics · Physics 2015-06-25 Tony Lelievre , Mathias Rousset , Gabriel Stoltz

The universal quantum work relation connects a functional of an arbitrary observable averaged over the forward process to the free energy difference and another functional averaged over the time-reversed process. Here, we ask the question…

Quantum Physics · Physics 2012-04-18 Arun Kumar Pati , Mamata Sahoo , Biswajit Pradhan

Work is a process-based quantity, and its measurement typically requires interaction with a measuring device multiple times. While classical systems allow for non-invasive and accurate measurements, quantum systems present unique challenges…

Quantum Physics · Physics 2025-06-17 Giulia Rubino , Karen V. Hovhannisyan , Paul Skrzypczyk

Jarzynski's identity for the free energy difference between two equilibrium states can be viewed as a special case of a more general procedure based on phase space mappings. Solving a system's equation of motion by approximate means…

Statistical Mechanics · Physics 2009-11-11 Wolfgang Lechner , Harald Oberhofer , Christoph Dellago , Phillip L. Geissler

The Jarzynski equality allows the calculation of free-energy differences using values of work measured from nonequilibrium trajectories. The number of trajectories required to accurately estimate free-energy differences in this way grows…

Statistical Mechanics · Physics 2025-05-13 Stephen Whitelam

We propose a new way to perform path integrals in quantum mechanics by using a quantum version of Hamilton-Jacobi theory. In classical mechanics, Hamilton-Jacobi theory is a powerful formalism, however, its utility is not explored in…

High Energy Physics - Theory · Physics 2025-09-03 Mustafa Türe , Mithat Ünsal

A result of great theoretical and experimental interest, Jarzynski equality predicts a free energy change $\Delta F$ of a system at inverse temperature $\beta$ from an ensemble average of non-equilibrium exponential work, i.e., $\langle…

Statistical Mechanics · Physics 2017-10-18 Juan D. Jaramillo , Jiawen Deng , Jiangbin Gong

We derive the differential equation describing the time evolution of the work probability distribution function of a stochastic system which is driven out of equilibrium by the manipulation of a parameter. We consider both systems described…

Statistical Mechanics · Physics 2007-05-23 A. Imparato , L. Peliti

We present a generalization of Jarzynski's Equality, applicable to quantum systems, relating discretized mechanical work and free-energy changes. The theory is based on a step-wise pulling protocol. We find that work distribution functions…

Quantum Physics · Physics 2012-09-21 Van A. Ngo , Stephan Haas
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